4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline

C29H31N — CID 59086875

IUPAC4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C29H31N/c1-23-15-19-27(20-16-23)30-28-21-17-24(18-22-28)9-8-14-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,17-18,21-23,27,30H,15-16,19-20H2,1H3
InChIKeyRUJDLIRZVKCVSY-UHFFFAOYSA-N
MW393.57 g/mol
LogP7.82
Rot. Bonds6

About 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline

4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline (PubChem CID 59086875) has the molecular formula C29H31N and a molecular weight of 393.57 g/mol. Its IUPAC name is 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline
PubChem CID59086875
Molecular FormulaC29H31N
Molecular Weight393.57 g/mol
Exact Mass393.25
IUPAC Name4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C29H31N/c1-23-15-19-27(20-16-23)30-28-21-17-24(18-22-28)9-8-14-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,17-18,21-23,27,30H,15-16,19-20H2,1H3
InChIKeyRUJDLIRZVKCVSY-UHFFFAOYSA-N
XLogP7.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-cyclohexylaniline
CID 23517903
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
1-(4,4-diphenylbuta-1,3-dienyl)-4-[2-(4-iodophenyl)ethenyl]benzene
CID 90306652
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline
CID 91049526
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-1H-pyrazolo[3,4-b]pyridine;methylcyclopropane;methyl formate
CID 176553228

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline (CID 59086875) is 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline is CC1CCC(Nc2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline?
The InChIKey is RUJDLIRZVKCVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N/c1-23-15-19-27(20-16-23)30-28-21-17-24(18-22-28)9-8-14-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,17-18,21-23,27,30H,15-16,19-20H2,1H3.
What are the key properties of 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline?
4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline has a molecular weight of 393.57 g/mol, XLogP of 7.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diphenylbuta-1,3-dienyl)-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 59086875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).